(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid

C17H15F3O3 — CID 15941789

IUPAC(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid
SMILESC[C@H](C(=O)O)c1ccc(-c2ccc([C@@H](O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3O3/c1-10(16(22)23)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(21)17(18,19)20/h2-10,15,21H,1H3,(H,22,23)/t10-,15+/m0/s1
InChIKeyPBNSXZWKJKPIKS-ZUZCIYMTSA-N
MW324.30 g/mol
LogP4.14
Rot. Bonds4

About (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid

(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid (PubChem CID 15941789) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid
PubChem CID15941789
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Name(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid
SMILESC[C@H](C(=O)O)c1ccc(-c2ccc([C@@H](O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3O3/c1-10(16(22)23)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(21)17(18,19)20/h2-10,15,21H,1H3,(H,22,23)/t10-,15+/m0/s1
InChIKeyPBNSXZWKJKPIKS-ZUZCIYMTSA-N
XLogP4.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide
CID 15942070
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
2-[4-(1,1-difluoroethyl)phenyl]propanoic acid
CID 84680228
4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol
CID 11021882
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
2-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]propanoic acid
CID 15588665
3-(4-phenylphenyl)butan-2-one
CID 66468835
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
2-[4-(1,1-difluorobutyl)phenyl]propanoic acid
CID 116992162
2-phenylpropanoic acid;dihydrochloride
CID 162109025

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid?
The IUPAC name of (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid (CID 15941789) is (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid is C[C@H](C(=O)O)c1ccc(-c2ccc([C@@H](O)C(F)(F)F)cc2)cc1.
What is the InChIKey of (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid?
The InChIKey is PBNSXZWKJKPIKS-ZUZCIYMTSA-N. The full InChI is InChI=1S/C17H15F3O3/c1-10(16(22)23)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(21)17(18,19)20/h2-10,15,21H,1H3,(H,22,23)/t10-,15+/m0/s1.
What are the key properties of (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid?
(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid has a molecular weight of 324.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid is sourced from PubChem (CID 15941789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).